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1185301-25-0 | 3-(3-Chloro-benzyloxy)-piperidine hydrochloride
CAS No: 1185301-25-0 Catalog No: AG01F9QE MDL No:
Product Description
Catalog Number:
AG01F9QE
Chemical Name:
3-(3-Chloro-benzyloxy)-piperidine hydrochloride
CAS Number:
1185301-25-0
Molecular Formula:
C12H17Cl2NO
Molecular Weight:
262.1755
IUPAC Name:
3-[(3-chlorophenyl)methoxy]piperidine;hydrochloride
InChI:
InChI=1S/C12H16ClNO.ClH/c13-11-4-1-3-10(7-11)9-15-12-5-2-6-14-8-12;/h1,3-4,7,12,14H,2,5-6,8-9H2;1H
InChI Key:
PBFIEAJKIOACMD-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COC1CCCNC1.Cl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.174g/mol
Monoisotopic Mass:
261.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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